7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile

C15H19Cl2N3O — CID 88810855

IUPAC7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile
SMILESN#CCCCCCC(=NOCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c16-13-7-6-12(11-14(13)17)15(20-21-10-9-19)5-3-1-2-4-8-18/h6-7,11H,1-5,9-10,19H2
InChIKeyUBSWPWURGPTDOV-UHFFFAOYSA-N
MW328.24 g/mol
LogP4.15
Rot. Bonds9

About 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile

7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile (PubChem CID 88810855) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile.

Molecular Properties

Compound Name7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile
PubChem CID88810855
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile
SMILESN#CCCCCCC(=NOCCN)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H19Cl2N3O/c16-13-7-6-12(11-14(13)17)15(20-21-10-9-19)5-3-1-2-4-8-18/h6-7,11H,1-5,9-10,19H2
InChIKeyUBSWPWURGPTDOV-UHFFFAOYSA-N
XLogP4.15
TPSA71.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(3,4-dichlorophenyl)-3-(2-methoxyethoxy)propylidene]amino]oxyethanamine
CID 88810610
6-(2-aminoethoxyimino)-6-(4-methylsulfinylphenyl)hexanenitrile;(E)-but-2-enedioic acid
CID 159551800
2-[[6-chloro-1-(4-methylsulfinylphenyl)hexylidene]amino]oxyethanamine
CID 161190089
2-[[5-chloro-1-(4-methylsulfinylphenyl)pentylidene]amino]oxyethanamine
CID 154348891
3-cyanopropyl 4-amino-3-chlorobenzoate
CID 78998261
2-[(Z)-[5-(trideuteriomethoxy)-1-[4-(trifluoromethyl)phenyl]pentylidene]amino]oxyethanamine
CID 131708504
(5Z)-5-(2-aminoethoxyimino)-5-[4-(trifluoromethyl)phenyl]pentanoic acid
CID 10313784
(1Z)-1-(3,4-dichlorophenyl)-1-methoxyiminoheptan-4-one
CID 123450309
6-(4-bromophenyl)-6-hydroxyiminohexanenitrile
CID 88812798
3-(3,4-dichlorophenyl)-3-oxopropanenitrile
CID 2758063
N-[3-(3,4-dichlorophenyl)-3-methoxyiminopropyl]methanesulfonamide
CID 75083635
cyclopentyl 4-(3,4-dichlorophenyl)-4-methoxyiminobutanoate
CID 75083508

Frequently Asked Questions

What is the IUPAC name of 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile?
The IUPAC name of 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile (CID 88810855) is 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile.
What is the SMILES notation for 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile?
The canonical SMILES for 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile is N#CCCCCCC(=NOCCN)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile?
The InChIKey is UBSWPWURGPTDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c16-13-7-6-12(11-14(13)17)15(20-21-10-9-19)5-3-1-2-4-8-18/h6-7,11H,1-5,9-10,19H2.
What are the key properties of 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile?
7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile has a molecular weight of 328.24 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-aminoethoxyimino)-7-(3,4-dichlorophenyl)heptanenitrile is sourced from PubChem (CID 88810855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).